N-[[(1E)-cycloocten-1-yl]-(3-ethyl-4-pyridinyl)methyl]propan-1-amine

C19H30N2 — CID 106654247

IUPACN-[[(1E)-cycloocten-1-yl]-(3-ethyl-4-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(/C1=C/CCCCCC1)c1ccncc1CC
InChIInChI=1S/C19H30N2/c1-3-13-21-19(17-10-8-6-5-7-9-11-17)18-12-14-20-15-16(18)4-2/h10,12,14-15,19,21H,3-9,11,13H2,1-2H3/b17-10+
InChIKeySRVYSNFTTQWXOR-LICLKQGHSA-N
MW286.46 g/mol
LogP4.97
Rot. Bonds6

About N-[[(1E)-cycloocten-1-yl]-(3-ethyl-4-pyridinyl)methyl]propan-1-amine

N-[[(1E)-cycloocten-1-yl]-(3-ethyl-4-pyridinyl)methyl]propan-1-amine (PubChem CID 106654247) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-[[(1E)-cycloocten-1-yl]-(3-ethyl-4-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[(1E)-cycloocten-1-yl]-(3-ethyl-4-pyridinyl)methyl]propan-1-amine
PubChem CID106654247
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN-[[(1E)-cycloocten-1-yl]-(3-ethyl-4-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(/C1=C/CCCCCC1)c1ccncc1CC
InChIInChI=1S/C19H30N2/c1-3-13-21-19(17-10-8-6-5-7-9-11-17)18-12-14-20-15-16(18)4-2/h10,12,14-15,19,21H,3-9,11,13H2,1-2H3/b17-10+
InChIKeySRVYSNFTTQWXOR-LICLKQGHSA-N
XLogP4.97
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[(1E)-cycloocten-1-yl]-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 106654391
N-[(2-chloro-4-methylphenyl)-(cyclohepten-1-yl)methyl]propan-1-amine
CID 106859010
N-[cyclohexen-1-yl-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 81477478
N-[[(1E)-cycloocten-1-yl]-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 106656613
N-[(3-chloro-2-fluorophenyl)-(cyclohepten-1-yl)methyl]propan-1-amine
CID 81264775
N-[cyclohepten-1-yl-(1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine
CID 106657176
N-[3,4-dihydro-2H-pyran-5-yl-(3-ethyl-4-pyridinyl)methyl]ethanamine
CID 113370642
N-[(3-bromo-2-methylphenyl)-[(1E)-cycloocten-1-yl]methyl]propan-1-amine
CID 106656754
N-[(4-bromo-2-methoxyphenyl)-(cyclohepten-1-yl)methyl]propan-1-amine
CID 115368982
N-[(4-chlorophenyl)-[(1E)-cycloocten-1-yl]methyl]propan-1-amine
CID 106652441
N-[cyclohepten-1-yl-(6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 106652963
N-[cyclohepten-1-yl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine
CID 106657100

Frequently Asked Questions

What is the IUPAC name of N-[[(1E)-cycloocten-1-yl]-(3-ethyl-4-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[[(1E)-cycloocten-1-yl]-(3-ethyl-4-pyridinyl)methyl]propan-1-amine (CID 106654247) is N-[[(1E)-cycloocten-1-yl]-(3-ethyl-4-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[[(1E)-cycloocten-1-yl]-(3-ethyl-4-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[[(1E)-cycloocten-1-yl]-(3-ethyl-4-pyridinyl)methyl]propan-1-amine is CCCNC(/C1=C/CCCCCC1)c1ccncc1CC.
What is the InChIKey of N-[[(1E)-cycloocten-1-yl]-(3-ethyl-4-pyridinyl)methyl]propan-1-amine?
The InChIKey is SRVYSNFTTQWXOR-LICLKQGHSA-N. The full InChI is InChI=1S/C19H30N2/c1-3-13-21-19(17-10-8-6-5-7-9-11-17)18-12-14-20-15-16(18)4-2/h10,12,14-15,19,21H,3-9,11,13H2,1-2H3/b17-10+.
What are the key properties of N-[[(1E)-cycloocten-1-yl]-(3-ethyl-4-pyridinyl)methyl]propan-1-amine?
N-[[(1E)-cycloocten-1-yl]-(3-ethyl-4-pyridinyl)methyl]propan-1-amine has a molecular weight of 286.46 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1E)-cycloocten-1-yl]-(3-ethyl-4-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 106654247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).